2-[3-ethanoyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-propan-2-yl-azanium

Systemtic Name: 2-[3-ethanoyl-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-propan-2-yl-azanium Openeye Name: 2-[3-acetyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-isopropyl-dimethyl-ammonium CAS Name: 2-[3-acetyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-propan-2-ylammonium IUPAC Name: 2-[3-acetyl-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-propan-2-ylazanium Traditional Name: 2-[3-acetyl-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-isopropyl-dimethyl-ammonium Formula: C25H33N2O3S+ MolecularWeight: 441.60612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(C)CCN1C2=CC=CC=C2SC(C(C1=O)C(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[N+](C)(C)CCN1C2=CC=CC=C2SC(C(C1=O)C(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H33N2O3S/c1-17(2)27(4,5)16-15-26-21-9-7-8-10-22(21)31-24(23(18(3)28)25(26)29)19-11-13-20(30-6)14-12-19/h7-14,17,23-24H,15-16H2,1-6H3/q+1